SCHEMBL29952856

SCHEMBL29952856

CCOc1ccc(C(C)=O)cc1CN(C)CC(=O)O

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CREBBP Q92793 2/20 0.54
HTT P42858 1/20 0.52
ALDH1A1 P00352 6/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
HIF1A Q16665 1/20 0.51
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 3/20 0.47
RAD52 P43351 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
MAPK10 P53779 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
MAPT P10636 1/20 0.46
TSHR P16473 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29956378 0.86 ALDH1A1 (0.69) HTTALDH1A1MEN1KMT2AL3MBTL1
SCHEMBL14667296 0.78 CREBBP (0.64) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL5119766 0.77 CREBBP (0.62) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL29956593 0.76 ALDH1A1 (0.76) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL29958267 0.76 CREBBP (0.54) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL29463757 0.74 CREBBP (0.72) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL3034164 0.74 CREBBP (0.72) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL29952391 0.74 CREBBP (0.51) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL27967180 0.73 CREBBP (0.57) CREBBPHTTALDH1A1MEN1KMT2A
SCHEMBL29956382 0.73 ALDH1A1 (0.62) HTTALDH1A1MEN1KMT2AHIF1A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed